Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MQKQVVVMDEAAIKRALTRVSYEIIERNKGTKNLALVGIKTRGIYLAERLHKRILEIEGIDVPVGDIDITLYRDDLSFKDDKTREPAVHGTNIPFDINGKKVVLVDDVLYTGRTVRAAMDALMDVGRPAQIHLAVLADRGHRELPIRADYVGKNIPTSGNERVEVRLTDVDHAEDAVIINKNE
4P3K Chain:A ((3-180))
-QEKAVVLDEQAIRRALTRIAHEIIERNKGVDNCVLVGIKTRGIYLAKRLAERIEQIEGKPVPVGEIDITLYRDDLTVTSNK--EPLVKGTDIPVDITDKKVILVDDVLYTGRTVRAGMDALMDLGRPSQIQLAVLVDRGHRELPIRADYVGKNVPTSKSERIVVQLSEVDGQDRVSIYEK--
General information:
TITO was launched using:
RESULT:
Template:
4P3K.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -86176 for 1405 contacts (-61.3/contact) +
2D Compatibility (PS) -19632 + (NN) -6334 + (LL) 384
1D Compatibility (HY) -20800 + (ID) 6200
Total energy: -138758.0 ( -98.76 by residue)
QMean score : 0.557
(partial model without unconserved sides chains):
PDB file :
Tito_4P3K.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4P3K-query.scw
PDB file :
Tito_Scwrl_4P3K.pdb
: